2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine

C23H29F2N — CID 67688057

IUPAC2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine
SMILESCCCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C23H29F2N/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-22(24)23(25)26-16-21/h11-18H,2-10H2,1H3
InChIKeyJDZINEPMCPLYES-UHFFFAOYSA-N
MW357.49 g/mol
LogP7.27
Rot. Bonds7

About 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine

2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine (PubChem CID 67688057) has the molecular formula C23H29F2N and a molecular weight of 357.49 g/mol. Its IUPAC name is 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine
PubChem CID67688057
Molecular FormulaC23H29F2N
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine
SMILESCCCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C23H29F2N/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-22(24)23(25)26-16-21/h11-18H,2-10H2,1H3
InChIKeyJDZINEPMCPLYES-UHFFFAOYSA-N
XLogP7.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688098
2-(3,4-difluorophenyl)-5-[4-(4-nonylcyclohexyl)phenyl]pyrimidine
CID 18650816
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
CID 18650826
CID 162030737
CID 162030737
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
CID 19765365
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine?
The IUPAC name of 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine (CID 67688057) is 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine is CCCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine?
The InChIKey is JDZINEPMCPLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-22(24)23(25)26-16-21/h11-18H,2-10H2,1H3.
What are the key properties of 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine?
2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine has a molecular weight of 357.49 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 67688057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).